N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
TL;DR: N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide (CAS 848730-21-2) is a chemical compound with molecular formula C29H30F4N2O4 and molecular weight 546.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide
Also Known As: N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide, N-[1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide, N-{1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-3-(4-methoxyphenyl)propanamide
| Molecular Formula | C29H30F4N2O4 |
|---|---|
| Molecular Weight | 546.21 g/mol |
| LogP | 4.9123 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.2142 |
| Heavy Atoms | 39 |
| Complexity | 1300.0627 |
Chemical Identifiers
| CAS Number | 848730-21-2 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=O)N2CCC3=CC=C(C=C3)F)(C(F)(F)F)NC(=O)CCC4=CC=C(C=C4)OC)C |
Product Overview
N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide (CAS 848730-21-2), with molecular formula C29H30F4N2O4 and molecular weight 546.21 g/mol. IUPAC: N-[1-[2-(4-fluorophenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide.
Chemical Property Profile of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
Property Insights of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
The XLogP value of 4.9123 indicates that N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide. Following Lipinski's Rule of Five, N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
The CAS number of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide is 848730-21-2.
What is the molecular formula of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
The molecular formula of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide is C29H30F4N2O4.
What is the molecular weight of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
The molecular weight of N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide is 546.21 g/mol.
Where can I buy N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
You can request a quote for N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(4-fluorophenethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.